N-ethoxycarbonyl-N'-morpholino-thiourea | 40398-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-ethoxycarbonyl-N'-morpholino-thiourea
• 英文别名: 1-(ethoxycarbonyl)amino-1-morpholinomethanethione；Morpholino-3-ethoxycarbonyl-thioharnstoff；(morpholin-4-yl-carbothioyl)carbamic acid ethyl ester；(Morpholine-4-carbothioyl)-carbamic acid ethyl ester；Ethyl (morpholin-4-ylcarbonothioyl)carbamate；ethyl N-(morpholine-4-carbothioyl)carbamate
• CAS: 40398-28-5
• 化学式: C₈H₁₄N₂O₃S
• mdl: MFCD01570695
• 分子量: 218.277
• InChiKey: GJSLGIVNGKJHRG-UHFFFAOYSA-N

物化性质

• 熔点：
  167 °C
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-ethoxycarbonyl-N'-morpholino-thiourea 、 2-amino-N-(-4-cyano-1-propyl-piperidin-4-yl)-3-cyclohexylpropionamide bis hydrochloride salt 生成 {[1-(4-Cyano-1-propyl-piperidin-4-ylcarbamoyl)-2-cyclohexyl-ethylimino]-morpholin-4-yl-methyl}-carbamic acid ethyl ester
  参考文献：
  名称：

  Compounds useful as reversible inhibitors of cysteine proteases

  摘要：

  揭示了一种新颖的针对cathepsin S、K、F、L和B的可逆抑制化合物，其化学式为(Ia)和(Ib)，其中R2、R3、R4、R5、R6、R7、R8、Het和X在此定义。这些化合物可用于治疗自身免疫和其他疾病。还揭示了制备这种新型化合物的方法。

  公开号：

  US06525052B2
• 作为产物：
  描述：

  1-(N-Carbethoxy-thiocarbamoyl)-2-morpholino-cyclopenten 生成 N-ethoxycarbonyl-N'-morpholino-thiourea
  参考文献：
  名称：

  UHER, M.;SKVARENINOVA, K.;MARTVON, A.;BENO, A., ACTA FAC. RERUM NATUR. UNIV. COMEN. CHIM., 1982, 30, 73-79

  摘要：

  DOI：

文献信息

• [EN] PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] COMPOSES PEPTIDIQUES EN TANT QU'INHIBITEURS DE LA PROTEASE A CYSTEINE
  申请人：AXYS PHARM INC

  公开号：WO2004000838A1

  公开（公告）日：2003-12-31

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是卡特普辛B、K、L、F和S，因此在治疗由这些蛋白酶介导的疾病方面具有用途。本发明涉及包含这些化合物的药物组合物以及制备它们的方法。
• Reactivity of 1,2,3-triazole-substituted 1-azabutadienes (vinamidines)
  作者：Sandor Bátori、Sándor Bokotey、András Messmer

  DOI：10.3998/ark.5550190.0013.514

  日期：——

  The reactivity of the new 1,2,3-triazole-substituted vinamidines ( i.e. 1-azabutadienes) was investigated. They were used as synthons to obtain new pyrazole, di-1,2,3-triazole as well as 4- amino-1,2,3-triazole derivatives. The Diels-Alder reaction with inverse electronic demand (using dimethyl 1,2,4,5-tetrazin-3,6-dicarboxylate as reagent) resulted in the formation of a new pyridazine derivative.

  研究了新的 1,2,3-三唑取代的联苯胺（即 1-氮杂丁二烯）的反应性。它们被用作合成子以获得新的吡唑、二-1,2,3-三唑以及4-氨基-1,2,3-三唑衍生物。具有逆电子需求的 Diels-Alder 反应（使用 1,2,4,5-tetrazin-3,6-dicarboxylate 作为试剂）导致形成新的哒嗪衍生物。
• Novel compounds useful as reversible inhibitors of cysteine proteases
  申请人：——

  公开号：US20020137932A1

  公开（公告）日：2002-09-26

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formula (Ia) and (Ib) where R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , Het and X are defined herein. The compounds are useful for treating autoimmune and other diseases. Also disclosed are processes for making such novel compounds. 1

  揭示了一种新型的cathepsin S、K、F、L和B的可逆抑制化合物，其化学式为(Ia)和(Ib)，其中R2、R3、R4、R5、R6、R7、R8、Het和X的定义如下。这些化合物可用于治疗自身免疫和其他疾病。还公开了制备这种新型化合物的方法。
• Peptidic compounds as cysteine protease inhibitors
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：US20040127426A1

  公开（公告）日：2004-07-01

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是抑制B、K、L、F和S型猫蛋白酶，因此可用于治疗由这些蛋白酶介导的疾病。本发明涉及包含这些化合物的制药组合物和其制备方法。
• Compound useful as reversible inhibitors of cysteine proteases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US06420364B1

  公开（公告）日：2002-07-16

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formulas (I), (II), (Ia) and (Ib) further defined herein. The compounds are useful for treating autoimmune diseases. Also disclosed are processes for making such novel compounds.

  本发明公开了一种新型的cathepsin S、K、F、L和B可逆抑制化合物，其化学式为(I)、(II)、(Ia)和(Ib)，具体定义如下。这些化合物可用于治疗自身免疫性疾病。本发明还公开了制备这些新型化合物的方法。